1,3-bis(morpholin-4-ium-4-ylmethyl)imidazolidine-2,4-dione

C13H24N4O4+2 — CID 6990250

IUPAC1,3-bis(morpholin-4-ium-4-ylmethyl)imidazolidine-2,4-dione
SMILESO=C1CN(C[NH+]2CCOCC2)C(=O)N1C[NH+]1CCOCC1
InChIInChI=1S/C13H22N4O4/c18-12-9-16(10-14-1-5-20-6-2-14)13(19)17(12)11-15-3-7-21-8-4-15/h1-11H2/p+2
InChIKeyQUTJYJMVXHINAG-UHFFFAOYSA-P
MW300.36 g/mol
LogP-4.00
Rot. Bonds4

About 1,3-bis(morpholin-4-ium-4-ylmethyl)imidazolidine-2,4-dione

1,3-bis(morpholin-4-ium-4-ylmethyl)imidazolidine-2,4-dione (PubChem CID 6990250) has the molecular formula C13H24N4O4+2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 1,3-bis(morpholin-4-ium-4-ylmethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name1,3-bis(morpholin-4-ium-4-ylmethyl)imidazolidine-2,4-dione
PubChem CID6990250
Molecular FormulaC13H24N4O4+2
Molecular Weight300.36 g/mol
Exact Mass300.18
IUPAC Name1,3-bis(morpholin-4-ium-4-ylmethyl)imidazolidine-2,4-dione
SMILESO=C1CN(C[NH+]2CCOCC2)C(=O)N1C[NH+]1CCOCC1
InChIInChI=1S/C13H22N4O4/c18-12-9-16(10-14-1-5-20-6-2-14)13(19)17(12)11-15-3-7-21-8-4-15/h1-11H2/p+2
InChIKeyQUTJYJMVXHINAG-UHFFFAOYSA-P
XLogP-4.00
TPSA67.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 5-4.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

N,N'-1,2-ethanediylbis[2-(4-morpholinyl)acetamide]
CID 2922084
3-(Morpholin-4-ylmethyl)imidazolidine-2,4-dione
CID 336388
N-[2-(4-morpholinyl)ethyl]-2-oxo-1-imidazolidinecarboxamide
CID 864666
1-[2-(2,6-Dimethylmorpholin-4-yl)acetyl]imidazolidin-2-one
CID 16260954
N,N'-bis[2-(morpholin-4-yl)ethyl]ethanediamide
CID 3136337
4-Morpholineacetamide,n-[(ethylamino)carbonyl]-
CID 284932
Imidazolidin-4-one, 1-(4-morpholinocarbonyl)-
CID 559563
1,3-Bis(morpholin-4-ylmethyl)imidazolidine-2,4-dione
CID 5207807
1-(Morpholine-4-carbonyl)piperazin-2-one
CID 54206572
N-(2-amino-1-morpholin-4-yl-2-oxoethyl)-2-morpholin-4-ylpropanamide
CID 57090388
1-(2-Morpholin-4-ylethyl)imidazolidine-2,4-dione
CID 64218477
1-(Morpholin-4-ylmethyl)piperazin-2-one
CID 67116143

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(morpholin-4-ium-4-ylmethyl)imidazolidine-2,4-dione?
The IUPAC name of 1,3-bis(morpholin-4-ium-4-ylmethyl)imidazolidine-2,4-dione (CID 6990250) is 1,3-bis(morpholin-4-ium-4-ylmethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 1,3-bis(morpholin-4-ium-4-ylmethyl)imidazolidine-2,4-dione?
The canonical SMILES for 1,3-bis(morpholin-4-ium-4-ylmethyl)imidazolidine-2,4-dione is O=C1CN(C[NH+]2CCOCC2)C(=O)N1C[NH+]1CCOCC1.
What is the InChIKey of 1,3-bis(morpholin-4-ium-4-ylmethyl)imidazolidine-2,4-dione?
The InChIKey is QUTJYJMVXHINAG-UHFFFAOYSA-P. The full InChI is InChI=1S/C13H22N4O4/c18-12-9-16(10-14-1-5-20-6-2-14)13(19)17(12)11-15-3-7-21-8-4-15/h1-11H2/p+2.
What are the key properties of 1,3-bis(morpholin-4-ium-4-ylmethyl)imidazolidine-2,4-dione?
1,3-bis(morpholin-4-ium-4-ylmethyl)imidazolidine-2,4-dione has a molecular weight of 300.36 g/mol, XLogP of -4.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(morpholin-4-ium-4-ylmethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 6990250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).